3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole

C14H15ClFN3O — CID 104914918

IUPAC3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1noc([C@H]2CCCCN2)n1
InChIInChI=1S/C14H15ClFN3O/c15-10-4-3-5-11(16)9(10)8-13-18-14(20-19-13)12-6-1-2-7-17-12/h3-5,12,17H,1-2,6-8H2/t12-/m1/s1
InChIKeyAVKSHNPEDLDGJB-GFCCVEGCSA-N
MW295.74 g/mol
LogP3.27
Rot. Bonds3

About 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole

3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole (PubChem CID 104914918) has the molecular formula C14H15ClFN3O and a molecular weight of 295.74 g/mol. Its IUPAC name is 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
PubChem CID104914918
Molecular FormulaC14H15ClFN3O
Molecular Weight295.74 g/mol
Exact Mass295.09
IUPAC Name3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
SMILESFc1cccc(Cl)c1Cc1noc([C@H]2CCCCN2)n1
InChIInChI=1S/C14H15ClFN3O/c15-10-4-3-5-11(16)9(10)8-13-18-14(20-19-13)12-6-1-2-7-17-12/h3-5,12,17H,1-2,6-8H2/t12-/m1/s1
InChIKeyAVKSHNPEDLDGJB-GFCCVEGCSA-N
XLogP3.27
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.74
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900536
3-[(2-chloro-6-fluorophenyl)methyl]-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63024370
3-[(3-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893922
5-(azepan-2-yl)-3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazole
CID 64561284
5-piperidin-2-yl-3-(thiophen-2-ylmethyl)-1,2,4-oxadiazole
CID 62502676
3-[(3-fluorophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900480
5-piperidin-2-yl-3-[[2-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazole
CID 115080825
(3R,5R)-5-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912230
3-[(3-bromophenyl)methyl]-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93244202
3-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743359
3-[(2-chloro-6-fluorophenyl)methyl]-5-[(R)-cyclohexyl(phenyl)methyl]-1,2,4-oxadiazole
CID 41353965
3-(cyclopropylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832637

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole (CID 104914918) is 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole is Fc1cccc(Cl)c1Cc1noc([C@H]2CCCCN2)n1.
What is the InChIKey of 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
The InChIKey is AVKSHNPEDLDGJB-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H15ClFN3O/c15-10-4-3-5-11(16)9(10)8-13-18-14(20-19-13)12-6-1-2-7-17-12/h3-5,12,17H,1-2,6-8H2/t12-/m1/s1.
What are the key properties of 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole?
3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole has a molecular weight of 295.74 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-6-fluorophenyl)methyl]-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 104914918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).